1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclohexane-1-carboxamide;dihydrochloride

C18H26Cl2N4O2 — CID 119858993

IUPAC1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1ccnc1COc1ccc(NC(=O)C2(N)CCCCC2)cc1
InChIInChI=1S/C18H24N4O2.2ClH/c1-22-12-11-20-16(22)13-24-15-7-5-14(6-8-15)21-17(23)18(19)9-3-2-4-10-18;;/h5-8,11-12H,2-4,9-10,13,19H2,1H3,(H,21,23);2*1H
InChIKeyKDQHXIWJIUUXBW-UHFFFAOYSA-N
MW401.34 g/mol
LogP3.44
Rot. Bonds5

About 1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclohexane-1-carboxamide;dihydrochloride

1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119858993) has the molecular formula C18H26Cl2N4O2 and a molecular weight of 401.34 g/mol. Its IUPAC name is 1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119858993
Molecular FormulaC18H26Cl2N4O2
Molecular Weight401.34 g/mol
Exact Mass400.14
IUPAC Name1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1ccnc1COc1ccc(NC(=O)C2(N)CCCCC2)cc1
InChIInChI=1S/C18H24N4O2.2ClH/c1-22-12-11-20-16(22)13-24-15-7-5-14(6-8-15)21-17(23)18(19)9-3-2-4-10-18;;/h5-8,11-12H,2-4,9-10,13,19H2,1H3,(H,21,23);2*1H
InChIKeyKDQHXIWJIUUXBW-UHFFFAOYSA-N
XLogP3.44
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 55882122
2,2-dichloro-1-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide
CID 47045605
3-amino-2-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]butanamide;dihydrochloride
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CID 55793990
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CID 55736611
2-(cyclopropylmethylamino)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
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methyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride
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(3R)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,1-dioxothiolane-3-carboxamide
CID 94518565
methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
CID 47038275
2-(4-butylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 55767360
4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119858993) is 1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.Cn1ccnc1COc1ccc(NC(=O)C2(N)CCCCC2)cc1.
What is the InChIKey of 1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is KDQHXIWJIUUXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.2ClH/c1-22-12-11-20-16(22)13-24-15-7-5-14(6-8-15)21-17(23)18(19)9-3-2-4-10-18;;/h5-8,11-12H,2-4,9-10,13,19H2,1H3,(H,21,23);2*1H.
What are the key properties of 1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 401.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119858993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).